Structure of PDB 4up4 Chain B Binding Site BS05

Receptor Information
>4up4 Chain B (length=399) Species: 71681 (Lacrymaria velutina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVVISQALPVPTRIPGVADLVGFGNGGVYIIRNSLLIQVVKVINNFGYDA
GGWRVEKHVRLLADTTGDNQPDVVGFGENGVWISTNNGNNTFVDPPKMVL
ANFAYAAGGWRVEKHIRFMADLRKTGRADIVGFGDGGIYISRNNGGGQFA
PAQLALNNFGYAQGWRLDRHLRFLADVTGDGLLDVVGFGENQVYIARNSG
NGTFQPAQAVVNNFCIGAGGWTISAHPRVVADLTGDRKADILGFGVAGVY
TSLNNGNGTFGAVNLVLKDFGVNSGWRVEKHVRCVSSLTNKKVGDIIGFG
DAGVYVALNNGNGTFGPVKRVIDNFGYNQGWRVDKHPRFVVDLTGDGCAD
IVGFGENSVWACMNKGDGTFGPIMQLIDDMTVSKGWTLQKTVRYAANLY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4up4 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4up4 A Recombinant Fungal Lectin for Labeling Truncated Glycans on Human Cancer Cells.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D177 T179 D181 L183 D185
Binding residue
(residue number reindexed from 1)		D176 T178 D180 L182 D184
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4up4, PDBe:4up4, PDBj:4up4
PDBsum4up4
PubMed26042789
UniProtQ309D1

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